SCHEMBL5504997

SCHEMBL5504997

CC1=CC(C)(C)Nc2c(C)ccc(OC(=O)C(C)(C)C)c21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 10/20 0.37
▸ MAPT P10636 3/20 0.34
▸ CHEK1 O14757 1/20 0.33
▸ PGR P06401 2/20 0.32
▸ LMNA P02545 3/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ NR3C1 P04150 2/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ G6PD P11413 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5501394 0.85 ACHE (0.40) ELANEMAPTPGRLMNANPSR1
SCHEMBL16239375 0.72 ELANE (0.47) ELANEMAPTLMNANPSR1ALDH1A1
SCHEMBL5498961 0.68 PGR (0.39) ELANEMAPTPGRLMNANPSR1
SCHEMBL5498846 0.67 PGR (0.43) MAPTPGRLMNAALDH1A1CYP3A4
SCHEMBL16239270 0.67 ELANE (0.42) ELANEMAPTLMNANPSR1ALDH1A1
SCHEMBL16236329 0.67 PTPN1 (0.43) ELANELMNAALDH1A1CYP3A4HIF1A
SCHEMBL16236717 0.66 ELANE (0.41) ELANEMAPTCHEK1LMNANPSR1
SCHEMBL16236575 0.66 TYMS (0.40) ELANEMAPTLMNANPSR1ALDH1A1
SCHEMBL13844926 0.66 MAPT (0.60) ELANEMAPTPGRLMNANPSR1
Hydrochloric Acid SCHEMBL16237201 0.65 ELANE (0.41) ELANEMAPTLMNANPSR1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INC. 2007-11-01 — — US disclosed
EP-1778233-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2007-05-02 — — EP disclosed
WO-2006019716-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2006-02-23 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS CASR, GRK2, RYR2 ELANE 4779/4885MAPT 3411/4885CHEK1 2448/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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